6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C16H12N8OS — CID 108772517

IUPAC6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCOc1ccccc1-c1csc2nc(Nc3ncnc4nc[nH]c34)nn12
InChIInChI=1S/C16H12N8OS/c1-25-11-5-3-2-4-9(11)10-6-26-16-22-15(23-24(10)16)21-14-12-13(18-7-17-12)19-8-20-14/h2-8H,1H3,(H2,17,18,19,20,21,23)
InChIKeyPWYWLAPOTUVABI-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.88
Rot. Bonds4

About 6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772517) has the molecular formula C16H12N8OS and a molecular weight of 364.39 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108772517
Molecular FormulaC16H12N8OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC Name6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCOc1ccccc1-c1csc2nc(Nc3ncnc4nc[nH]c34)nn12
InChIInChI=1S/C16H12N8OS/c1-25-11-5-3-2-4-9(11)10-6-26-16-22-15(23-24(10)16)21-14-12-13(18-7-17-12)19-8-20-14/h2-8H,1H3,(H2,17,18,19,20,21,23)
InChIKeyPWYWLAPOTUVABI-UHFFFAOYSA-N
XLogP2.88
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-(2-methoxyphenyl)-N-(3-methylquinoxalin-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772525
N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772516
ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate
CID 108772518
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780733
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide
CID 108780749
4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780737
4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108728841
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752665
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butane-1-sulfonamide
CID 108780734
6-(2-methoxyphenyl)-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772513
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108752647
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-methylfuran-2-carboxamide
CID 108728826

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772517) is 6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is COc1ccccc1-c1csc2nc(Nc3ncnc4nc[nH]c34)nn12.
What is the InChIKey of 6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is PWYWLAPOTUVABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8OS/c1-25-11-5-3-2-4-9(11)10-6-26-16-22-15(23-24(10)16)21-14-12-13(18-7-17-12)19-8-20-14/h2-8H,1H3,(H2,17,18,19,20,21,23).
What are the key properties of 6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 364.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).